2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide

C24H27ClN4O3 — CID 46606177

IUPAC2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
SMILESCCC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3)cc2C)C1=O
InChIInChI=1S/C24H27ClN4O3/c1-3-24(17-6-8-18(25)9-7-17)22(31)29(23(32)27-24)15-21(30)26-20-11-10-19(14-16(20)2)28-12-4-5-13-28/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,26,30)(H,27,32)
InChIKeyUEIGIJABINSZTE-UHFFFAOYSA-N
MW454.96 g/mol
LogP4.04
Rot. Bonds6

About 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide

2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 46606177) has the molecular formula C24H27ClN4O3 and a molecular weight of 454.96 g/mol. Its IUPAC name is 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID46606177
Molecular FormulaC24H27ClN4O3
Molecular Weight454.96 g/mol
Exact Mass454.18
IUPAC Name2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
SMILESCCC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3)cc2C)C1=O
InChIInChI=1S/C24H27ClN4O3/c1-3-24(17-6-8-18(25)9-7-17)22(31)29(23(32)27-24)15-21(30)26-20-11-10-19(14-16(20)2)28-12-4-5-13-28/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,26,30)(H,27,32)
InChIKeyUEIGIJABINSZTE-UHFFFAOYSA-N
XLogP4.04
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.96
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide
CID 42154804
N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 26292277
N-(2,4-dimethylphenyl)-2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7264774
2-[(4S)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 2531072
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-1-ylacetamide
CID 41208231
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-difluorophenyl)acetamide
CID 42964377
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-piperidin-1-ylphenyl)acetamide
CID 26871371
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 2703164
N-(4-chlorophenyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7179775
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 18165300
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 18266833
2-[(4R)-4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-cyclooctylacetamide
CID 2584765

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide (CID 46606177) is 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide is CCC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)Nc2ccc(N3CCCC3)cc2C)C1=O.
What is the InChIKey of 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is UEIGIJABINSZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O3/c1-3-24(17-6-8-18(25)9-7-17)22(31)29(23(32)27-24)15-21(30)26-20-11-10-19(14-16(20)2)28-12-4-5-13-28/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,26,30)(H,27,32).
What are the key properties of 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide?
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 454.96 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 46606177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).